N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

C16H24N6OS — CID 22196072

IUPACN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1nnc(C2CCCCC2)s1)Cc1cnn(C)c1
InChIInChI=1S/C16H24N6OS/c1-21(9-12-8-17-22(2)10-12)11-14(23)18-16-20-19-15(24-16)13-6-4-3-5-7-13/h8,10,13H,3-7,9,11H2,1-2H3,(H,18,20,23)
InChIKeyXXXYNGLGFIOWSQ-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.39
Rot. Bonds6

About N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (PubChem CID 22196072) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
PubChem CID22196072
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
SMILESCN(CC(=O)Nc1nnc(C2CCCCC2)s1)Cc1cnn(C)c1
InChIInChI=1S/C16H24N6OS/c1-21(9-12-8-17-22(2)10-12)11-14(23)18-16-20-19-15(24-16)13-6-4-3-5-7-13/h8,10,13H,3-7,9,11H2,1-2H3,(H,18,20,23)
InChIKeyXXXYNGLGFIOWSQ-UHFFFAOYSA-N
XLogP2.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The IUPAC name of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide (CID 22196072) is N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide.
What is the SMILES notation for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The canonical SMILES for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is CN(CC(=O)Nc1nnc(C2CCCCC2)s1)Cc1cnn(C)c1.
What is the InChIKey of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
The InChIKey is XXXYNGLGFIOWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c1-21(9-12-8-17-22(2)10-12)11-14(23)18-16-20-19-15(24-16)13-6-4-3-5-7-13/h8,10,13H,3-7,9,11H2,1-2H3,(H,18,20,23).
What are the key properties of N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide?
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide has a molecular weight of 348.48 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide is sourced from PubChem (CID 22196072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).